Cas no 113777-15-4 (propan-2-yl 3-(3-methoxyphenyl)propanoate)
113777-15-4 structure
Product Name:propan-2-yl 3-(3-methoxyphenyl)propanoate
CAS No:113777-15-4
MF:C13H18O3
MW:222.280224323273
CID:2611595
PubChem ID:14043098
Update Time:2025-04-21
propan-2-yl 3-(3-methoxyphenyl)propanoate Chemical and Physical Properties
Names and Identifiers
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- propan-2-yl 3-(3-methoxyphenyl)propanoate
- DTXSID70554883
- 113777-15-4
-
- Inchi： 1S/C13H18O3/c1-10(2)16-13(14)8-7-11-5-4-6-12(9-11)15-3/h4-6,9-10H,7-8H2,1-3H3
- InChI Key： MCAMHNCOVPGFBB-UHFFFAOYSA-N
- SMILES： O(C(CCC1C=CC=C(C=1)OC)=O)C(C)C
Computed Properties
- Exact Mass: 222.125594432Da
- Monoisotopic Mass: 222.125594432Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 213
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 35.5?2
propan-2-yl 3-(3-methoxyphenyl)propanoate Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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